[2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate

C18H16N2O3 — CID 8565545

IUPAC[2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate
SMILESC#CCNC(=O)COC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C18H16N2O3/c1-2-9-19-17(21)11-23-18(22)14-10-16(12-7-8-12)20-15-6-4-3-5-13(14)15/h1,3-6,10,12H,7-9,11H2,(H,19,21)
InChIKeyBYBWXWLUFBWHMT-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.02
Rot. Bonds5

About [2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate

[2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate (PubChem CID 8565545) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate
PubChem CID8565545
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate
SMILESC#CCNC(=O)COC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C18H16N2O3/c1-2-9-19-17(21)11-23-18(22)14-10-16(12-7-8-12)20-15-6-4-3-5-13(14)15/h1,3-6,10,12H,7-9,11H2,(H,19,21)
InChIKeyBYBWXWLUFBWHMT-UHFFFAOYSA-N
XLogP2.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(prop-2-ynylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 8577430
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 8565614
[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40763723
N-(1-amino-2-methylpropan-2-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119522890
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-cyclopropylquinoline-4-carboxamide
CID 60557838
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40764106
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
bis[2-oxo-2-(prop-2-ynylamino)ethyl] pyridine-2,6-dicarboxylate
CID 9076352
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
2-cyclopropyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 9483435
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate (CID 8565545) is [2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate is C#CCNC(=O)COC(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate?
The InChIKey is BYBWXWLUFBWHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-9-19-17(21)11-23-18(22)14-10-16(12-7-8-12)20-15-6-4-3-5-13(14)15/h1,3-6,10,12H,7-9,11H2,(H,19,21).
What are the key properties of [2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate?
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate is sourced from PubChem (CID 8565545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).